| Reaction Details |
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 | Report a problem with these data |
| Target | Genome polyprotein |
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| Ligand | BDBM50495928 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1291857 (CHEMBL3124057) |
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| IC50 | 0.080000±n/a nM |
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| Citation |  Shah, U; Jayne, C; Chackalamannil, S; Velázquez, F; Guo, Z; Buevich, A; Howe, JA; Chase, R; Soriano, A; Agrawal, S; Rudd, MT; McCauley, JA; Liverton, NJ; Romano, J; Bush, K; Coleman, PJ; Grisé-Bard, C; Brochu, MC; Charron, S; Aulakh, V; Bachand, B; Beaulieu, P; Zaghdane, H; Bhat, S; Han, Y; Vacca, JP; Davies, IW; Weber, AE; Venkatraman, S Novel Quinoline-Based P2-P4 Macrocyclic Derivatives As Pan-Genotypic HCV NS3/4a Protease Inhibitors. ACS Med Chem Lett5:264-9 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Genome polyprotein |
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| Name: | Genome polyprotein |
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| Synonyms: | NS3 Protease |
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| Type: | Protein |
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| Mol. Mass.: | 18999.15 |
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| Organism: | Hepatitis C Virus |
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| Description: | ABC73367 |
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| Residue: | 181 |
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| Sequence: | APITAYSQQTRGLLACIITSLTGRDKNQVEGEVQVVSTATQSFLATCVNGVCWTVYHGAG
SKTLAGPKGPVIQMYTNVDQDLVGWPAPPGARSLTPCTCGSSDLYLVTRHADVIPVRRRG
DGRGSLLSPRPVSYLKGSSGGPLLCPSGHAVGIFRAAVCTRGVAKAVDFIPVESMETTMR
S
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| BDBM50495928 |
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| n/a |
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| Name | BDBM50495928 |
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| Synonyms: | CHEMBL3349199 |
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| Type | Small organic molecule |
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| Emp. Form. | C48H64N6O9S |
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| Mol. Mass. | 901.122 |
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| SMILES | [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(O[C@@H]3C[C@]4([H])CC[C@]([H])(C3)N4)c1CCCCC2 |r,TLB:52:53:62:57.58| |
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| Structure | 
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